UCSF

ZINC62035171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.19 1.02 -42.48 4 6 1 78 232.333 7
Mid Mid (pH 6-8) 0.19 -1.3 -9.58 3 6 0 76 231.325 7
Lo Low (pH 4.5-6) 0.19 0.86 -119.41 5 6 2 79 233.341 7

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.